6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine

C11H16ClN3O — CID 82741233

IUPAC6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
SMILESCC1OCCC1N(C)c1nc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O/c1-7-9(5-6-16-7)15(2)11-8(13)3-4-10(12)14-11/h3-4,7,9H,5-6,13H2,1-2H3
InChIKeyIYXIZGUIUBWOLK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.93
Rot. Bonds2

About 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine

6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine (PubChem CID 82741233) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
PubChem CID82741233
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine
SMILESCC1OCCC1N(C)c1nc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O/c1-7-9(5-6-16-7)15(2)11-8(13)3-4-10(12)14-11/h3-4,7,9H,5-6,13H2,1-2H3
InChIKeyIYXIZGUIUBWOLK-UHFFFAOYSA-N
XLogP1.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82745889
N-[(3,6-dichloro-2-pyridinyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82734079
3-amino-6-[methyl-(2-methyloxolan-3-yl)amino]pyridine-2-carbonitrile
CID 103468909
6-chloro-2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyridine-2,3-diamine
CID 115474326
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 83157100
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322269
4-chloro-5-fluoro-1-N-methyl-1-N-(2-methyloxolan-3-yl)benzene-1,2-diamine
CID 82741235
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229
2-amino-5-[methyl-(2-methyloxolan-3-yl)amino]benzamide
CID 82749051
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82745998
N-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739891
2-N,4-N,5-trimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 82744646

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine (CID 82741233) is 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine is CC1OCCC1N(C)c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
The InChIKey is IYXIZGUIUBWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-9(5-6-16-7)15(2)11-8(13)3-4-10(12)14-11/h3-4,7,9H,5-6,13H2,1-2H3.
What are the key properties of 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine?
6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine has a molecular weight of 241.72 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-2-N-(2-methyloxolan-3-yl)pyridine-2,3-diamine is sourced from PubChem (CID 82741233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).